1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Openeye Name: 1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one CAS Name: 1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]octan-1-one Traditional Name: 1-[4-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazino]octan-1-one Formula: C24H31F3N4O MolecularWeight: 448.52435

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C24H31F3N4O/c1-3-4-5-6-7-8-22(32)31-15-13-30(14-16-31)21-17-18(2)28-23(29-21)19-9-11-20(12-10-19)24(25,26)27/h9-12,17H,3-8,13-16H2,1-2H3